ChemSpider 2D Image | 4-{6-[(7-Chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl)amino]-1H-benzimidazol-2-yl}butanoic acid | C27H26ClN3O7

4-{6-[(7-Chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl)amino]-1H-benzimidazol-2-yl}butanoic acid

  • Molecular FormulaC27H26ClN3O7
  • Average mass539.964 Da
  • Monoisotopic mass539.145935 Da
  • ChemSpider ID64973399

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Benzimidazole-2-butanoic acid, 6-[(7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxospiro[benzofuran-2(3H),1'-cyclohex[3]en]-4'-yl)amino]- [ACD/Index Name]
4-{6-[(7-Chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl)amino]-1H-benzimidazol-2-yl}butanoic acid [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 878.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 485.1±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 20.33
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 140 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 362.7±5.0 cm3

Click to predict properties on the Chemicalize site


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